⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3004179 | 1.00 | — | — | |
| SCHEMBL758590 | 0.78 | — | — | |
| SCHEMBL15624617 | 0.77 | — | — | |
| SCHEMBL514670 | 0.77 | — | — | |
| SCHEMBL7936270 | 0.77 | THRB (0.53) | — | |
| SCHEMBL2565232 | 0.77 | — | — | |
| SCHEMBL10067017 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11135283 | 0.76 | THRB (0.32) | — | |
| Hydrochloric Acid SCHEMBL6715456 | 0.74 | — | — | |
| Fluoride SCHEMBL28509778 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091941-B1 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2013-01-23 | — | — | EP | claimed |
| US-7696218-B2 | Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase | TAKEDA SAN DIEGO, INC. (US) | 2010-04-13 | — | — | US | claimed |
| EP-2091941-A2 | MAPK/ERK KINASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2009-08-26 | — | — | EP | claimed |
| WO-2008140553-A2 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | claimed |
| US-20080125437-A1 | MAPK/ERK KINASE INHIBITORS | TAKEDA SAN DIEGO, INC. | 2008-05-29 | — | — | US | claimed |
| EP-2091941-B1 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2013-01-23 | — | — | EP | disclosed |
| US-20100204471-A1 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-12 | — | — | US | disclosed |
| US-20100113413-A1 | MAPK/ERK Kinase Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-06 | — | — | US | disclosed |
| US-7696218-B2 | Substituted 1,3-dialkyl-2,4-dioxo-6-(arylamino)-1,2,3,4-tetrahydropyrimidine-5-hydroxamic acid inhibitors of MAPK/ERK kinase | TAKEDA SAN DIEGO, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| EP-2091941-A2 | MAPK/ERK KINASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008140553-A2 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |
| US-20080125437-A1 | MAPK/ERK KINASE INHIBITORS | TAKEDA SAN DIEGO, INC. | 2008-05-29 | — | — | US | disclosed |